(2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid

C10H17NO6S — CID 79034671

IUPAC(2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid
SMILESCOC(=O)CCS(=O)(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C10H17NO6S/c1-17-9(12)5-7-18(15,16)11-6-3-2-4-8(11)10(13)14/h8H,2-7H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyFASUACXTQLHSKD-MRVPVSSYSA-N
MW279.31 g/mol
LogP-0.18
Rot. Bonds5

About (2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid

(2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid (PubChem CID 79034671) has the molecular formula C10H17NO6S and a molecular weight of 279.31 g/mol. Its IUPAC name is (2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid
PubChem CID79034671
Molecular FormulaC10H17NO6S
Molecular Weight279.31 g/mol
Exact Mass279.08
IUPAC Name(2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid
SMILESCOC(=O)CCS(=O)(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C10H17NO6S/c1-17-9(12)5-7-18(15,16)11-6-3-2-4-8(11)10(13)14/h8H,2-7H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyFASUACXTQLHSKD-MRVPVSSYSA-N
XLogP-0.18
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methoxy-6-oxohexyl)sulfonylpiperidine-2-carboxylic acid
CID 122070228
(2S)-1-(2-methoxy-2-oxoethyl)sulfonylpyrrolidine-2-carboxylic acid
CID 61359148
methyl 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)propanoate
CID 66794420
(2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid
CID 66263402
(4R)-3-(3-methoxy-3-oxopropyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 54951256
methyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate
CID 79005471
methyl (2R)-1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate
CID 79830884
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
4-(2-methoxycarbonylpiperidin-1-yl)sulfonylbutanoic acid
CID 54876199
1-(2-propan-2-yloxyethylsulfonyl)azepane-2-carboxylic acid
CID 79594113
1-(2-methoxypropylsulfonyl)piperidine-2-carboxylic acid
CID 122070213
methyl 4-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylbutanoate
CID 61460139

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid (CID 79034671) is (2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid is COC(=O)CCS(=O)(=O)N1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid?
The InChIKey is FASUACXTQLHSKD-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO6S/c1-17-9(12)5-7-18(15,16)11-6-3-2-4-8(11)10(13)14/h8H,2-7H2,1H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid?
(2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 79034671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).